1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
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Basic information
- CAS
1996-69-6- Standard SMILES
COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1- InChIKey
WJNPONNEXMSLPF-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO4
- Average molar mass
- 313.23 g/mol
- Monoisotopic mass
- 313.05619229
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
- IUPAC
- 1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
- English name
- 4-(4-METHOXYPHENOXY)-3-NITROBENZOTRIFLUORIDE
- Molecular formula
- C14H10F3NO4
- Molecular weight
- 313.23
Names & synonyms
1996-69-61-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzeneDTXSID80379488RefChem:225286DTXCID803305144-(4-Methoxyphenoxy)-3-nitrobenzotrifluorideMFCD00052260Maybridge1_001501HMS545M05Benzene, 1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-BTB 05265AKOS015911276
Show more names
DB-017785CS-0449381ST510416264-(4-Methoxyphenoxy)-3-nitro-benzotrifluoride97%F0083734-(4-Methoxyphenoxy)-3-nitro-benzotrifluoride 97%
Database identifiers
- CAS
1996-69-6- PubChem CID
- 2775271
- DTXSID
DTXSID80379488- EC Number
- 671-929-2
- Nikkaji
- J1.021.852G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 175 · 175-180 °C(Press: 2.5 Torr)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 1996 · 1996-69-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H332-H312-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 23 · 23-26-36/37/39
- RIDADR
- 1759 · UN1759
- HazardClass
- IRRITANT
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- UN1759
- hs_code
- 2922500090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315-H332-H312-H302
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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